5-[(4-tert-butylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide CAS Name: 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyridin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)-2-furamide Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-22(2,3)17-6-8-18(9-7-17)26-15-19-10-11-20(27-19)21(25)24-14-16-5-4-12-23-13-16/h4-13H,14-15H2,1-3H3,(H,24,25)/p+1